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Chemical ID: 6633667
Chemical ID:
6633667
Name [?]:
17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
SMILES [?]:
CC12CCC3C(C1CCC2O)CCC4C3CCC(=O)C4
InChi [?]:
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,17,12,16,8,9,4,3,20,14,18,15,5,6,7,10,2,19,11/rA:20cCCCCCCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;s10;s6;s12;s13;s5s14;s15;s16;s17;d18;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 8.14346 |
Area: | 435.526 |
Solvation: | -2.74468 |
Coulombic: | -25.1669 |
Bond Count [?]
All: | 23 |
Single: | 22 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 276.414 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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